Found 17 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81535
(CHEMBL525267 | PACAP(6-38))Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81536
(PACAP(5-38))Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C188H311N57O46S/c1-18-103(12)147(199)180(287)237-137(88-108-40-20-19-21-41-108)177(284)245-151(107(16)248)184(291)239-139(94-146(257)258)176(283)241-141(97-247)179(286)235-136(92-112-59-67-116(252)68-60-112)174(281)240-140(96-246)178(285)225-126(51-38-83-211-187(205)206)166(273)233-134(90-110-55-63-114(250)64-56-110)172(279)224-124(49-36-81-209-185(201)202)162(269)219-119(44-24-31-76-191)159(266)227-129(70-72-143(197)254)168(275)228-130(73-85-292-17)157(264)215-106(15)155(262)242-148(100(6)7)181(288)229-122(47-27-34-79-194)161(268)220-121(46-26-33-78-193)163(270)234-135(91-111-57-65-115(251)66-58-111)173(280)231-132(87-99(4)5)170(277)216-104(13)153(260)214-105(14)154(261)243-149(101(8)9)183(290)238-131(86-98(2)3)156(263)213-95-145(256)217-118(43-23-30-75-190)158(265)221-125(50-37-82-210-186(203)204)165(272)232-133(89-109-53-61-113(249)62-54-109)171(278)223-120(45-25-32-77-192)160(267)226-128(69-71-142(196)253)167(274)222-127(52-39-84-212-188(207)208)169(276)244-150(102(10)11)182(289)230-123(48-28-35-80-195)164(271)236-138(93-144(198)255)175(282)218-117(152(200)259)42-22-29-74-189/h19-21,40-41,53-68,98-107,117-141,147-151,246-252H,18,22-39,42-52,69-97,189-195,199H2,1-17H3,(H2,196,253)(H2,197,254)(H2,198,255)(H2,200,259)(H,213,263)(H,214,260)(H,215,264)(H,216,277)(H,217,256)(H,218,282)(H,219,269)(H,220,268)(H,221,265)(H,222,274)(H,223,278)(H,224,279)(H,225,285)(H,226,267)(H,227,266)(H,228,275)(H,229,288)(H,230,289)(H,231,280)(H,232,272)(H,233,273)(H,234,270)(H,235,286)(H,236,271)(H,237,287)(H,238,290)(H,239,291)(H,240,281)(H,241,283)(H,242,262)(H,243,261)(H,244,276)(H,245,284)(H,257,258)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t103?,104-,105-,106-,107+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,147-,148-,149-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81534
(PACAP(4-38))Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C190H314N58O47S/c1-18-104(12)152(244-146(259)95-198)185(294)240-138(88-109-40-20-19-21-41-109)179(288)248-153(108(16)251)186(295)241-140(94-148(261)262)178(287)243-142(98-250)181(290)237-137(92-113-59-67-117(255)68-60-113)176(285)242-141(97-249)180(289)227-127(51-38-83-213-189(207)208)168(277)235-135(90-111-55-63-115(253)64-56-111)174(283)226-125(49-36-81-211-187(203)204)164(273)221-120(44-24-31-76-193)161(270)229-130(70-72-144(200)257)170(279)230-131(73-85-296-17)159(268)217-107(15)157(266)245-149(101(6)7)182(291)231-123(47-27-34-79-196)163(272)222-122(46-26-33-78-195)165(274)236-136(91-112-57-65-116(254)66-58-112)175(284)233-133(87-100(4)5)172(281)218-105(13)155(264)216-106(14)156(265)246-150(102(8)9)184(293)239-132(86-99(2)3)158(267)215-96-147(260)219-119(43-23-30-75-192)160(269)223-126(50-37-82-212-188(205)206)167(276)234-134(89-110-53-61-114(252)62-54-110)173(282)225-121(45-25-32-77-194)162(271)228-129(69-71-143(199)256)169(278)224-128(52-39-84-214-190(209)210)171(280)247-151(103(10)11)183(292)232-124(48-28-35-80-197)166(275)238-139(93-145(201)258)177(286)220-118(154(202)263)42-22-29-74-191/h19-21,40-41,53-68,99-108,118-142,149-153,249-255H,18,22-39,42-52,69-98,191-198H2,1-17H3,(H2,199,256)(H2,200,257)(H2,201,258)(H2,202,263)(H,215,267)(H,216,264)(H,217,268)(H,218,281)(H,219,260)(H,220,286)(H,221,273)(H,222,272)(H,223,269)(H,224,278)(H,225,282)(H,226,283)(H,227,289)(H,228,271)(H,229,270)(H,230,279)(H,231,291)(H,232,292)(H,233,284)(H,234,276)(H,235,277)(H,236,274)(H,237,290)(H,238,275)(H,239,293)(H,240,294)(H,241,295)(H,242,285)(H,243,287)(H,244,259)(H,245,266)(H,246,265)(H,247,280)(H,248,288)(H,261,262)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t104?,105-,106-,107-,108+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,149-,150-,151-,152-,153-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81528
(PACAP(7-38))Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C173H291N55O44S/c1-89(2)78-120(143(246)198-86-133(239)202-107(35-17-24-67-175)145(248)206-114(42-31-74-195-171(188)189)152(255)217-122(80-98-45-53-102(232)54-46-98)158(261)208-109(37-19-26-69-177)147(250)211-117(61-63-130(181)236)154(257)207-116(44-33-76-197-173(192)193)156(259)228-138(93(9)10)168(271)215-112(40-22-29-72-180)151(254)221-126(84-132(183)238)162(265)203-106(139(185)242)34-16-23-66-174)223-169(272)137(92(7)8)227-141(244)95(12)199-140(243)94(11)201-157(260)121(79-90(3)4)216-160(263)124(82-100-49-57-104(234)58-50-100)219-150(253)110(38-20-27-70-178)205-148(251)111(39-21-28-71-179)214-167(270)136(91(5)6)226-142(245)96(13)200-144(247)119(65-77-273-15)213-155(258)118(62-64-131(182)237)212-146(249)108(36-18-25-68-176)204-149(252)113(41-30-73-194-170(186)187)209-159(262)123(81-99-47-55-103(233)56-48-99)218-153(256)115(43-32-75-196-172(190)191)210-164(267)128(87-229)224-161(264)125(83-101-51-59-105(235)60-52-101)220-165(268)129(88-230)225-163(266)127(85-134(240)241)222-166(269)135(184)97(14)231/h45-60,89-97,106-129,135-138,229-235H,16-44,61-88,174-180,184H2,1-15H3,(H2,181,236)(H2,182,237)(H2,183,238)(H2,185,242)(H,198,246)(H,199,243)(H,200,247)(H,201,260)(H,202,239)(H,203,265)(H,204,252)(H,205,251)(H,206,248)(H,207,257)(H,208,261)(H,209,262)(H,210,267)(H,211,250)(H,212,249)(H,213,258)(H,214,270)(H,215,271)(H,216,263)(H,217,255)(H,218,256)(H,219,253)(H,220,268)(H,221,254)(H,222,269)(H,223,272)(H,224,264)(H,225,266)(H,226,245)(H,227,244)(H,228,259)(H,240,241)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t94-,95-,96-,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-,136-,137-,138-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81525
([AcHis1,Phe2]PACAP(1-38))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C211H337N63O53S/c1-19-115(12)170(270-164(287)106-237-177(297)156(102-165(288)289)264-195(315)148(94-121-44-22-20-23-45-121)261-197(317)154(242-120(17)278)100-127-104-231-109-238-127)206(326)266-153(95-122-46-24-21-25-47-122)200(320)274-171(119(16)277)207(327)267-157(103-166(290)291)199(319)269-159(108-276)202(322)262-152(99-126-65-73-131(282)74-66-126)196(316)268-158(107-275)201(321)251-141(57-42-89-234-210(227)228)187(307)259-150(97-124-61-69-129(280)70-62-124)193(313)250-139(55-40-87-232-208(223)224)183(303)245-134(50-28-35-82-214)180(300)253-144(76-78-161(220)284)189(309)254-145(79-91-328-18)178(298)240-118(15)175(295)271-167(112(6)7)203(323)255-137(53-31-38-85-217)182(302)246-136(52-30-37-84-216)184(304)260-151(98-125-63-71-130(281)72-64-125)194(314)257-147(93-111(4)5)191(311)241-116(13)173(293)239-117(14)174(294)272-168(113(8)9)205(325)265-146(92-110(2)3)176(296)236-105-163(286)243-133(49-27-34-81-213)179(299)247-140(56-41-88-233-209(225)226)186(306)258-149(96-123-59-67-128(279)68-60-123)192(312)249-135(51-29-36-83-215)181(301)252-143(75-77-160(219)283)188(308)248-142(58-43-90-235-211(229)230)190(310)273-169(114(10)11)204(324)256-138(54-32-39-86-218)185(305)263-155(101-162(221)285)198(318)244-132(172(222)292)48-26-33-80-212/h20-25,44-47,59-74,104,109-119,132-159,167-171,275-277,279-282H,19,26-43,48-58,75-103,105-108,212-218H2,1-18H3,(H2,219,283)(H2,220,284)(H2,221,285)(H2,222,292)(H,231,238)(H,236,296)(H,237,297)(H,239,293)(H,240,298)(H,241,311)(H,242,278)(H,243,286)(H,244,318)(H,245,303)(H,246,302)(H,247,299)(H,248,308)(H,249,312)(H,250,313)(H,251,321)(H,252,301)(H,253,300)(H,254,309)(H,255,323)(H,256,324)(H,257,314)(H,258,306)(H,259,307)(H,260,304)(H,261,317)(H,262,322)(H,263,305)(H,264,315)(H,265,325)(H,266,326)(H,267,327)(H,268,316)(H,269,319)(H,270,287)(H,271,295)(H,272,294)(H,273,310)(H,274,320)(H,288,289)(H,290,291)(H4,223,224,232)(H4,225,226,233)(H4,227,228,234)(H4,229,230,235)/t115?,116-,117-,118-,119+,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,167-,168-,169-,170-,171-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81531
([D-Phe2]PACAP-38 | [DPhe2]PACAP(1-38))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81539
([AcHis1,DPhe2]PACAP(1-38))Show SMILES CCC(C)[C@H](NC(=O)CNC[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C211H339N63O52S/c1-19-116(12)171(270-164(286)106-231-105-129(101-166(288)289)243-192(311)150(94-122-44-22-20-23-45-122)262-197(316)156(242-121(17)278)100-128-104-232-110-238-128)206(325)266-155(95-123-46-24-21-25-47-123)200(319)274-172(120(16)277)207(326)267-158(103-167(290)291)199(318)269-160(109-276)202(321)263-154(99-127-65-73-133(282)74-66-127)196(315)268-159(108-275)201(320)252-143(57-42-89-235-210(227)228)187(306)260-152(97-125-61-69-131(280)70-62-125)194(313)251-141(55-40-87-233-208(223)224)183(302)246-136(50-28-35-82-214)180(299)254-146(76-78-162(220)284)189(308)255-147(79-91-327-18)178(297)240-119(15)176(295)271-168(113(6)7)203(322)256-139(53-31-38-85-217)182(301)247-138(52-30-37-84-216)184(303)261-153(98-126-63-71-132(281)72-64-126)195(314)258-149(93-112(4)5)191(310)241-117(13)174(293)239-118(14)175(294)272-169(114(8)9)205(324)265-148(92-111(2)3)177(296)237-107-165(287)244-135(49-27-34-81-213)179(298)248-142(56-41-88-234-209(225)226)186(305)259-151(96-124-59-67-130(279)68-60-124)193(312)250-137(51-29-36-83-215)181(300)253-145(75-77-161(219)283)188(307)249-144(58-43-90-236-211(229)230)190(309)273-170(115(10)11)204(323)257-140(54-32-39-86-218)185(304)264-157(102-163(221)285)198(317)245-134(173(222)292)48-26-33-80-212/h20-25,44-47,59-74,104,110-120,129,134-160,168-172,231,275-277,279-282H,19,26-43,48-58,75-103,105-109,212-218H2,1-18H3,(H2,219,283)(H2,220,284)(H2,221,285)(H2,222,292)(H,232,238)(H,237,296)(H,239,293)(H,240,297)(H,241,310)(H,242,278)(H,243,311)(H,244,287)(H,245,317)(H,246,302)(H,247,301)(H,248,298)(H,249,307)(H,250,312)(H,251,313)(H,252,320)(H,253,300)(H,254,299)(H,255,308)(H,256,322)(H,257,323)(H,258,314)(H,259,305)(H,260,306)(H,261,303)(H,262,316)(H,263,321)(H,264,304)(H,265,324)(H,266,325)(H,267,326)(H,268,315)(H,269,318)(H,270,286)(H,271,295)(H,272,294)(H,273,309)(H,274,319)(H,288,289)(H,290,291)(H4,223,224,233)(H4,225,226,234)(H4,227,228,235)(H4,229,230,236)/t116?,117-,118-,119-,120+,129-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,168-,169-,170-,171-,172-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81524
([Phe2]PACAP(1-38))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81529
(PACAP(5-27) | PACAP(6-27))Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C121H193N33O31S/c1-62(2)53-85(98(127)164)144-118(184)96(65(7)8)153-100(166)67(10)134-99(165)66(9)136-110(176)86(54-63(3)4)145-112(178)88(57-72-34-40-75(159)41-35-72)147-107(173)79(28-18-21-48-123)138-105(171)80(29-19-22-49-124)143-117(183)95(64(5)6)152-101(167)68(11)135-103(169)84(46-52-186-13)142-109(175)83(44-45-93(126)161)141-104(170)78(27-17-20-47-122)137-106(172)81(30-23-50-132-120(128)129)139-111(177)87(56-71-32-38-74(158)39-33-71)146-108(174)82(31-24-51-133-121(130)131)140-115(181)91(60-155)150-113(179)89(58-73-36-42-76(160)43-37-73)148-116(182)92(61-156)151-114(180)90(59-94(162)163)149-119(185)97(69(12)157)154-102(168)77(125)55-70-25-15-14-16-26-70/h14-16,25-26,32-43,62-69,77-92,95-97,155-160H,17-24,27-31,44-61,122-125H2,1-13H3,(H2,126,161)(H2,127,164)(H,134,165)(H,135,169)(H,136,176)(H,137,172)(H,138,171)(H,139,177)(H,140,181)(H,141,170)(H,142,175)(H,143,183)(H,144,184)(H,145,178)(H,146,174)(H,147,173)(H,148,182)(H,149,185)(H,150,179)(H,151,180)(H,152,167)(H,153,166)(H,154,168)(H,162,163)(H4,128,129,132)(H4,130,131,133)/t66-,67-,68-,69+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-,97-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81538
([AcHis1,Phe2]PACAP(1-27))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:56.58,71.73,89.92,106.109,129.133,147.151,160.164,176.180,197.202,210.216,222.227,57.61,4.4,12.16,31.39,wD:45.46,63.65,77.79,95.98,118.122,155.160,185.189,205.211,215.220,138.142,167.171,20.28,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-23.87,-51.12,;-26.35,-52.55,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-25.89,-60.1,;-24.56,-60.87,;-23.23,-60.1,;-23.23,-58.56,;-24.56,-57.79,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-32.07,-56.89,;-33.41,-56.12,;-34.74,-56.89,;-33.38,-54.73,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C150H230N40O39S/c1-17-81(10)121(187-116(199)73-163-127(208)111(70-117(200)201)182-138(219)105(64-87-32-20-18-21-33-87)180-140(221)110(168-86(15)194)69-92-72-160-76-164-92)147(228)183-109(65-88-34-22-19-23-35-88)142(223)190-122(85(14)193)148(229)184-112(71-118(202)203)141(222)186-114(75-192)144(225)181-108(68-91-45-51-95(197)52-46-91)139(220)185-113(74-191)143(224)172-100(40-31-60-162-150(158)159)133(214)178-106(66-89-41-47-93(195)48-42-89)136(217)171-99(39-30-59-161-149(156)157)131(212)169-96(36-24-27-56-151)129(210)173-101(53-54-115(154)198)134(215)174-102(55-61-230-16)128(209)166-84(13)126(207)188-119(79(6)7)145(226)175-98(38-26-29-58-153)130(211)170-97(37-25-28-57-152)132(213)179-107(67-90-43-49-94(196)50-44-90)137(218)177-104(63-78(4)5)135(216)167-82(11)124(205)165-83(12)125(206)189-120(80(8)9)146(227)176-103(123(155)204)62-77(2)3/h18-23,32-35,41-52,72,76-85,96-114,119-122,191-193,195-197H,17,24-31,36-40,53-71,73-75,151-153H2,1-16H3,(H2,154,198)(H2,155,204)(H,160,164)(H,163,208)(H,165,205)(H,166,209)(H,167,216)(H,168,194)(H,169,212)(H,170,211)(H,171,217)(H,172,224)(H,173,210)(H,174,215)(H,175,226)(H,176,227)(H,177,218)(H,178,214)(H,179,213)(H,180,221)(H,181,225)(H,182,219)(H,183,228)(H,184,229)(H,185,220)(H,186,222)(H,187,199)(H,188,207)(H,189,206)(H,190,223)(H,200,201)(H,202,203)(H4,156,157,161)(H4,158,159,162)/t81?,82-,83-,84-,85+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81527
(PACAP(5-27))Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C127H204N34O32S/c1-16-69(10)99(132)122(190)155-93(58-74-28-18-17-19-29-74)119(187)161-102(73(14)164)125(193)156-94(62-98(169)170)118(186)158-96(64-163)121(189)154-92(61-77-39-45-80(167)46-40-77)117(185)157-95(63-162)120(188)146-85(34-27-54-139-127(136)137)112(180)152-90(59-75-35-41-78(165)42-36-75)115(183)145-84(33-26-53-138-126(134)135)110(178)143-81(30-20-23-50-128)108(176)147-86(47-48-97(131)168)113(181)148-87(49-55-194-15)107(175)141-72(13)106(174)159-100(67(6)7)123(191)149-83(32-22-25-52-130)109(177)144-82(31-21-24-51-129)111(179)153-91(60-76-37-43-79(166)44-38-76)116(184)151-89(57-66(4)5)114(182)142-70(11)104(172)140-71(12)105(173)160-101(68(8)9)124(192)150-88(103(133)171)56-65(2)3/h17-19,28-29,35-46,65-73,81-96,99-102,162-167H,16,20-27,30-34,47-64,128-130,132H2,1-15H3,(H2,131,168)(H2,133,171)(H,140,172)(H,141,175)(H,142,182)(H,143,178)(H,144,177)(H,145,183)(H,146,188)(H,147,176)(H,148,181)(H,149,191)(H,150,192)(H,151,184)(H,152,180)(H,153,179)(H,154,189)(H,155,190)(H,156,193)(H,157,185)(H,158,186)(H,159,174)(H,160,173)(H,161,187)(H,169,170)(H4,134,135,138)(H4,136,137,139)/t69?,70-,71-,72-,73+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,99-,100-,101-,102-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81540
([Asn3]PACAP(1-27))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:49.50,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,50.53,4.4,12.17,27.27,wD:38.38,56.57,70.71,88.90,111.114,148.152,178.181,198.203,208.212,131.134,160.163,21.23,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-24.56,-51,;-25.89,-50.23,;-23.23,-50.23,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-32.07,-56.89,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C143H227N41O38S/c1-16-76(10)114(181-110(194)67-158-121(202)95(47-49-108(148)192)167-135(216)105(68-185)178-120(201)89(147)64-85-66-155-71-159-85)140(221)176-103(60-81-28-18-17-19-29-81)134(215)184-115(80(14)188)141(222)177-104(65-111(195)196)133(214)180-107(70-187)137(218)175-102(63-84-39-45-88(191)46-40-84)132(213)179-106(69-186)136(217)166-94(34-27-56-157-143(153)154)127(208)173-100(61-82-35-41-86(189)42-36-82)130(211)165-93(33-26-55-156-142(151)152)125(206)163-90(30-20-23-52-144)123(204)168-96(48-50-109(149)193)128(209)169-97(51-57-223-15)122(203)161-79(13)119(200)182-112(74(6)7)138(219)170-92(32-22-25-54-146)124(205)164-91(31-21-24-53-145)126(207)174-101(62-83-37-43-87(190)44-38-83)131(212)172-99(59-73(4)5)129(210)162-77(11)117(198)160-78(12)118(199)183-113(75(8)9)139(220)171-98(116(150)197)58-72(2)3/h17-19,28-29,35-46,66,71-80,89-107,112-115,185-191H,16,20-27,30-34,47-65,67-70,144-147H2,1-15H3,(H2,148,192)(H2,149,193)(H2,150,197)(H,155,159)(H,158,202)(H,160,198)(H,161,203)(H,162,210)(H,163,206)(H,164,205)(H,165,211)(H,166,217)(H,167,216)(H,168,204)(H,169,209)(H,170,219)(H,171,220)(H,172,212)(H,173,208)(H,174,207)(H,175,218)(H,176,221)(H,177,222)(H,178,201)(H,179,213)(H,180,214)(H,181,194)(H,182,200)(H,183,199)(H,184,215)(H,195,196)(H4,151,152,156)(H4,153,154,157)/t76?,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81532
(PACAP(3-27))Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C133H212N36O36S/c1-16-71(10)106(166-101(177)64-146-112(186)83(137)62-102(178)179)130(204)162-96(58-76-28-18-17-19-29-76)125(199)169-107(75(14)172)131(205)163-97(63-103(180)181)124(198)165-99(66-171)127(201)161-95(61-79-39-45-82(175)46-40-79)123(197)164-98(65-170)126(200)153-88(34-27-54-145-133(142)143)118(192)159-93(59-77-35-41-80(173)42-36-77)121(195)152-87(33-26-53-144-132(140)141)116(190)150-84(30-20-23-50-134)114(188)154-89(47-48-100(138)176)119(193)155-90(49-55-206-15)113(187)148-74(13)111(185)167-104(69(6)7)128(202)156-86(32-22-25-52-136)115(189)151-85(31-21-24-51-135)117(191)160-94(60-78-37-43-81(174)44-38-78)122(196)158-92(57-68(4)5)120(194)149-72(11)109(183)147-73(12)110(184)168-105(70(8)9)129(203)157-91(108(139)182)56-67(2)3/h17-19,28-29,35-46,67-75,83-99,104-107,170-175H,16,20-27,30-34,47-66,134-137H2,1-15H3,(H2,138,176)(H2,139,182)(H,146,186)(H,147,183)(H,148,187)(H,149,194)(H,150,190)(H,151,189)(H,152,195)(H,153,200)(H,154,188)(H,155,193)(H,156,202)(H,157,203)(H,158,196)(H,159,192)(H,160,191)(H,161,201)(H,162,204)(H,163,205)(H,164,197)(H,165,198)(H,166,177)(H,167,185)(H,168,184)(H,169,199)(H,178,179)(H,180,181)(H4,140,141,144)(H4,142,143,145)/t71?,72-,73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-,107-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81533
([Phe2]PACAP(1-27))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:53.55,68.70,86.89,103.106,126.130,144.148,157.161,173.177,194.199,207.213,219.224,54.58,4.4,12.16,31.32,wD:42.43,60.62,74.76,92.95,115.119,152.157,182.186,202.208,212.217,135.139,164.168,20.28,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-23.87,-51.12,;-26.35,-52.55,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-25.89,-60.1,;-24.56,-60.87,;-23.23,-60.1,;-23.23,-58.56,;-24.56,-57.79,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-32.07,-56.89,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C148H228N40O38S/c1-16-80(10)119(185-114(196)72-162-126(206)109(69-115(197)198)180-136(216)104(63-85-31-19-17-20-32-85)175-125(205)94(152)68-90-71-159-75-163-90)145(225)181-108(64-86-33-21-18-22-34-86)140(220)188-120(84(14)191)146(226)182-110(70-116(199)200)139(219)184-112(74-190)142(222)179-107(67-89-44-50-93(194)51-45-89)138(218)183-111(73-189)141(221)170-99(39-30-59-161-148(157)158)132(212)177-105(65-87-40-46-91(192)47-41-87)135(215)169-98(38-29-58-160-147(155)156)130(210)167-95(35-23-26-55-149)128(208)171-100(52-53-113(153)195)133(213)172-101(54-60-227-15)127(207)165-83(13)124(204)186-117(78(6)7)143(223)173-97(37-25-28-57-151)129(209)168-96(36-24-27-56-150)131(211)178-106(66-88-42-48-92(193)49-43-88)137(217)176-103(62-77(4)5)134(214)166-81(11)122(202)164-82(12)123(203)187-118(79(8)9)144(224)174-102(121(154)201)61-76(2)3/h17-22,31-34,40-51,71,75-84,94-112,117-120,189-194H,16,23-30,35-39,52-70,72-74,149-152H2,1-15H3,(H2,153,195)(H2,154,201)(H,159,163)(H,162,206)(H,164,202)(H,165,207)(H,166,214)(H,167,210)(H,168,209)(H,169,215)(H,170,221)(H,171,208)(H,172,213)(H,173,223)(H,174,224)(H,175,205)(H,176,217)(H,177,212)(H,178,211)(H,179,222)(H,180,216)(H,181,225)(H,182,226)(H,183,218)(H,184,219)(H,185,196)(H,186,204)(H,187,203)(H,188,220)(H,197,198)(H,199,200)(H4,155,156,160)(H4,157,158,161)/t80?,81-,82-,83-,84+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81530
(PACAP(6-27) | PACAP(7-27))Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C112H184N32O30S/c1-56(2)48-77(90(118)154)135-110(174)89(59(7)8)144-92(156)61(10)125-91(155)60(9)127-101(165)78(49-57(3)4)136-103(167)80(51-65-29-35-68(149)36-30-65)138-98(162)71(23-15-18-43-114)129-96(160)72(24-16-19-44-115)134-109(173)88(58(5)6)143-93(157)62(11)126-94(158)76(41-47-175-13)133-100(164)75(39-40-85(116)151)132-95(159)70(22-14-17-42-113)128-97(161)73(25-20-45-123-111(119)120)130-102(166)79(50-64-27-33-67(148)34-28-64)137-99(163)74(26-21-46-124-112(121)122)131-106(170)83(54-145)141-104(168)81(52-66-31-37-69(150)38-32-66)139-107(171)84(55-146)142-105(169)82(53-86(152)153)140-108(172)87(117)63(12)147/h27-38,56-63,70-84,87-89,145-150H,14-26,39-55,113-115,117H2,1-13H3,(H2,116,151)(H2,118,154)(H,125,155)(H,126,158)(H,127,165)(H,128,161)(H,129,160)(H,130,166)(H,131,170)(H,132,159)(H,133,164)(H,134,173)(H,135,174)(H,136,167)(H,137,163)(H,138,162)(H,139,171)(H,140,172)(H,141,168)(H,142,169)(H,143,157)(H,144,156)(H,152,153)(H4,119,120,123)(H4,121,122,124)/t60-,61-,62-,63+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81526
([D-Phe2]PACAP-27 | [DPhe2]PACAP(1-27))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:53.55,68.70,86.89,103.106,126.130,144.148,157.161,173.177,194.199,207.213,219.224,54.58,4.4,12.16,20.28,31.32,wD:42.43,60.62,74.76,92.95,115.119,152.157,182.186,202.208,212.217,135.139,164.168,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-23.87,-51.12,;-26.35,-52.55,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-25.89,-60.1,;-24.56,-60.87,;-23.23,-60.1,;-23.23,-58.56,;-24.56,-57.79,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-32.07,-56.89,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C148H228N40O38S/c1-16-80(10)119(185-114(196)72-162-126(206)109(69-115(197)198)180-136(216)104(63-85-31-19-17-20-32-85)175-125(205)94(152)68-90-71-159-75-163-90)145(225)181-108(64-86-33-21-18-22-34-86)140(220)188-120(84(14)191)146(226)182-110(70-116(199)200)139(219)184-112(74-190)142(222)179-107(67-89-44-50-93(194)51-45-89)138(218)183-111(73-189)141(221)170-99(39-30-59-161-148(157)158)132(212)177-105(65-87-40-46-91(192)47-41-87)135(215)169-98(38-29-58-160-147(155)156)130(210)167-95(35-23-26-55-149)128(208)171-100(52-53-113(153)195)133(213)172-101(54-60-227-15)127(207)165-83(13)124(204)186-117(78(6)7)143(223)173-97(37-25-28-57-151)129(209)168-96(36-24-27-56-150)131(211)178-106(66-88-42-48-92(193)49-43-88)137(217)176-103(62-77(4)5)134(214)166-81(11)122(202)164-82(12)123(203)187-118(79(8)9)144(224)174-102(121(154)201)61-76(2)3/h17-22,31-34,40-51,71,75-84,94-112,117-120,189-194H,16,23-30,35-39,52-70,72-74,149-152H2,1-15H3,(H2,153,195)(H2,154,201)(H,159,163)(H,162,206)(H,164,202)(H,165,207)(H,166,214)(H,167,210)(H,168,209)(H,169,215)(H,170,221)(H,171,208)(H,172,213)(H,173,223)(H,174,224)(H,175,205)(H,176,217)(H,177,212)(H,178,211)(H,179,222)(H,180,216)(H,181,225)(H,182,226)(H,183,218)(H,184,219)(H,185,196)(H,186,204)(H,187,203)(H,188,220)(H,197,198)(H,199,200)(H4,155,156,160)(H4,157,158,161)/t80?,81-,82-,83-,84+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide
(Homo sapiens (Human)) | BDBM81537
([AcHis1,DPhe2]PACAP(1-27))Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:56.58,71.73,89.92,106.109,129.133,147.151,160.164,176.180,197.202,210.216,222.227,57.61,4.4,12.16,20.28,31.39,wD:45.46,63.65,77.79,95.98,118.122,155.160,185.189,205.211,215.220,138.142,167.171,(-14.46,-50.6,;-14.44,-52.33,;-15.67,-53.24,;-17,-52.47,;-15.67,-54.78,;-17,-55.55,;-18.34,-54.78,;-18.34,-53.24,;-19.43,-55.87,;-20.76,-55.1,;-22.14,-55.94,;-22.14,-57.48,;-23.47,-55.17,;-23.47,-53.63,;-24.56,-52.54,;-23.87,-51.12,;-26.35,-52.55,;-24.56,-56.25,;-25.89,-55.48,;-25.96,-54.17,;-27.23,-56.25,;-27.23,-57.79,;-25.89,-58.56,;-25.89,-60.1,;-24.56,-60.87,;-23.23,-60.1,;-23.23,-58.56,;-24.56,-57.79,;-28.56,-55.48,;-29.65,-56.57,;-29.65,-58.11,;-30.98,-55.8,;-30.98,-54.26,;-32.32,-53.49,;-31.84,-52.03,;-33.09,-51.12,;-34.33,-52.03,;-33.86,-53.49,;-32.07,-56.89,;-33.41,-56.12,;-34.74,-56.89,;-33.38,-54.73,;-14.34,-55.55,;-14.41,-57.12,;-13,-54.78,;-11.67,-55.55,;-11.67,-57.09,;-10.34,-57.86,;-9,-57.09,;-7.66,-57.86,;-7.66,-59.41,;-9,-60.18,;-10.34,-59.41,;-10.34,-54.78,;-10.34,-53.24,;-9,-55.55,;-7.67,-54.78,;-7.67,-53.24,;-9,-52.47,;-6.33,-52.47,;-6.33,-55.55,;-6.33,-57.09,;-5,-54.78,;-3.67,-55.55,;-3.67,-57.09,;-2.33,-57.86,;-1,-57.09,;-2.33,-59.4,;-2.33,-54.78,;-2.33,-53.24,;-1,-55.55,;.33,-54.78,;.33,-53.24,;1.67,-52.47,;1.67,-55.55,;1.67,-57.09,;3,-54.78,;4.34,-55.55,;4.34,-57.09,;5.67,-57.86,;7.01,-57.09,;8.35,-57.86,;8.35,-59.41,;9.68,-60.18,;7.01,-60.18,;5.67,-59.41,;5.67,-54.78,;5.67,-53.24,;7,-55.55,;8.34,-54.78,;8.34,-53.24,;9.67,-52.47,;9.67,-55.55,;9.67,-57.09,;11,-54.78,;12.34,-55.55,;12.34,-57.09,;13.67,-57.86,;13.67,-59.4,;15,-60.17,;15,-61.71,;13.67,-62.48,;16.34,-62.48,;13.67,-54.78,;13.67,-53.24,;15,-55.55,;16.34,-54.78,;16.34,-53.24,;17.67,-52.47,;19.01,-53.25,;20.35,-52.47,;20.35,-50.93,;21.68,-50.16,;19.01,-50.16,;17.67,-50.93,;17.67,-55.55,;17.67,-57.09,;19.01,-54.78,;20.34,-55.55,;20.34,-57.09,;21.67,-57.86,;21.67,-59.4,;23.01,-60.17,;23.01,-61.71,;21.67,-62.48,;24.34,-62.48,;21.67,-54.78,;21.67,-53.24,;23.01,-55.55,;24.34,-54.78,;24.34,-53.24,;25.67,-52.47,;25.67,-50.93,;27.01,-50.16,;27.01,-48.62,;25.67,-55.55,;25.67,-57.09,;27.01,-54.78,;28.34,-55.55,;28.34,-57.09,;29.67,-57.86,;29.67,-59.4,;28.34,-60.17,;31.01,-60.17,;29.67,-54.78,;29.67,-53.24,;31.01,-55.55,;32.34,-54.78,;32.34,-53.24,;33.68,-52.47,;33.68,-50.93,;35.01,-50.16,;33.68,-55.55,;33.68,-57.09,;35.01,-54.78,;36.34,-55.55,;36.34,-57.09,;37.68,-54.78,;37.68,-53.24,;39.01,-55.55,;40.34,-54.78,;40.34,-53.24,;41.68,-52.47,;39.01,-52.47,;41.68,-55.55,;41.68,-57.09,;43.01,-54.78,;44.34,-55.55,;44.34,-57.09,;45.68,-57.86,;45.68,-59.4,;47.01,-60.17,;47.01,-61.71,;45.68,-54.78,;45.68,-53.24,;47.01,-55.55,;48.35,-54.78,;48.35,-53.24,;49.68,-52.47,;49.68,-50.93,;51.01,-50.16,;51.01,-48.62,;49.68,-55.55,;49.68,-57.09,;51.01,-54.78,;52.35,-55.55,;52.35,-57.09,;53.68,-57.86,;55.02,-57.09,;56.36,-57.86,;56.36,-59.41,;57.69,-60.18,;55.02,-60.18,;53.68,-59.41,;53.68,-54.78,;53.68,-53.24,;55.01,-55.55,;56.35,-54.78,;56.35,-53.24,;57.68,-52.47,;57.68,-50.93,;59.01,-53.24,;57.68,-55.55,;57.68,-57.09,;59.01,-54.78,;60.35,-55.55,;60.35,-57.09,;61.68,-54.78,;61.68,-53.24,;63.02,-55.55,;64.35,-54.78,;64.35,-53.24,;65.68,-55.55,;65.68,-57.09,;67.02,-54.78,;68.35,-55.55,;68.35,-57.09,;69.68,-57.86,;67.02,-57.86,;69.68,-54.78,;69.68,-53.24,;71.02,-55.55,;72.35,-54.78,;72.35,-53.24,;73.68,-52.47,;73.68,-50.93,;75.02,-53.24,;73.68,-55.55,;75.02,-54.78,;73.68,-57.09,)| Show InChI InChI=1S/C150H230N40O39S/c1-17-81(10)121(187-116(199)73-163-127(208)111(70-117(200)201)182-138(219)105(64-87-32-20-18-21-33-87)180-140(221)110(168-86(15)194)69-92-72-160-76-164-92)147(228)183-109(65-88-34-22-19-23-35-88)142(223)190-122(85(14)193)148(229)184-112(71-118(202)203)141(222)186-114(75-192)144(225)181-108(68-91-45-51-95(197)52-46-91)139(220)185-113(74-191)143(224)172-100(40-31-60-162-150(158)159)133(214)178-106(66-89-41-47-93(195)48-42-89)136(217)171-99(39-30-59-161-149(156)157)131(212)169-96(36-24-27-56-151)129(210)173-101(53-54-115(154)198)134(215)174-102(55-61-230-16)128(209)166-84(13)126(207)188-119(79(6)7)145(226)175-98(38-26-29-58-153)130(211)170-97(37-25-28-57-152)132(213)179-107(67-90-43-49-94(196)50-44-90)137(218)177-104(63-78(4)5)135(216)167-82(11)124(205)165-83(12)125(206)189-120(80(8)9)146(227)176-103(123(155)204)62-77(2)3/h18-23,32-35,41-52,72,76-85,96-114,119-122,191-193,195-197H,17,24-31,36-40,53-71,73-75,151-153H2,1-16H3,(H2,154,198)(H2,155,204)(H,160,164)(H,163,208)(H,165,205)(H,166,209)(H,167,216)(H,168,194)(H,169,212)(H,170,211)(H,171,217)(H,172,224)(H,173,210)(H,174,215)(H,175,226)(H,176,227)(H,177,218)(H,178,214)(H,179,213)(H,180,221)(H,181,225)(H,182,219)(H,183,228)(H,184,229)(H,185,220)(H,186,222)(H,187,199)(H,188,207)(H,189,206)(H,190,223)(H,200,201)(H,202,203)(H4,156,157,161)(H4,158,159,162)/t81?,82-,83-,84-,85+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 207: 239-46 (1992)
Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2 |
More data for this
Ligand-Target Pair | |
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